Aims/Description: Theoretical modelling has been firmly established in the modern chemistry research toolbox, thanks to its ability to probe molecular structures at a level of detail that is inaccessible to experiments. Modelling also allows us to explain experimentally observed properties of molecules and materials and to predict properties of new molecules. This course will build on existing knowledge of quantum chemistry and then follow on to introduce classical molecular modelling - a powerful method for computer modelling of the structures and dynamics of large (bio) molecules. Hands-on workshops will give students an opportunity to use computers to investigate chemical systems.

Teaching Methods: Lectures, Problem solving, Independent Study
Assessment: Formal Exam, Course work

Information on the department responsible for this unit (Chemistry):

Departmental Home Page
Teaching timetable


The content of our courses is reviewed annually to make sure it's up-to-date and relevant. Individual modules are occasionally updated or withdrawn. This is in response to discoveries through our world-leading research; funding changes; professional accreditation requirements; student or employer feedback; outcomes of reviews; and variations in staff or student numbers. In the event of any change we'll consult and inform students in good time and take reasonable steps to minimise disruption.

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Teaching methods and assessment displayed on this page are indicative for 2021-22. Students will be informed by the academic department of any changes made necessary by the ongoing pandemic.

Western Bank, Sheffield, S10 2TN, UK